2-(2-bromophenyl)prop-2-ene-1-sulfonyl chloride

C9H8BrClO2S — CID 117269099

IUPAC2-(2-bromophenyl)prop-2-ene-1-sulfonyl chloride
SMILESC=C(CS(=O)(=O)Cl)c1ccccc1Br
InChIInChI=1S/C9H8BrClO2S/c1-7(6-14(11,12)13)8-4-2-3-5-9(8)10/h2-5H,1,6H2
InChIKeyOPBFKHJUMNECGV-UHFFFAOYSA-N
MW295.59 g/mol
LogP3.03
Rot. Bonds3

About 2-(2-bromophenyl)prop-2-ene-1-sulfonyl chloride

2-(2-bromophenyl)prop-2-ene-1-sulfonyl chloride (PubChem CID 117269099) has the molecular formula C9H8BrClO2S and a molecular weight of 295.59 g/mol. Its IUPAC name is 2-(2-bromophenyl)prop-2-ene-1-sulfonyl chloride.

Molecular Properties

Compound Name2-(2-bromophenyl)prop-2-ene-1-sulfonyl chloride
PubChem CID117269099
Molecular FormulaC9H8BrClO2S
Molecular Weight295.59 g/mol
Exact Mass293.91
IUPAC Name2-(2-bromophenyl)prop-2-ene-1-sulfonyl chloride
SMILESC=C(CS(=O)(=O)Cl)c1ccccc1Br
InChIInChI=1S/C9H8BrClO2S/c1-7(6-14(11,12)13)8-4-2-3-5-9(8)10/h2-5H,1,6H2
InChIKeyOPBFKHJUMNECGV-UHFFFAOYSA-N
XLogP3.03
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.59
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)prop-2-ene-1-sulfonyl chloride?
The IUPAC name of 2-(2-bromophenyl)prop-2-ene-1-sulfonyl chloride (CID 117269099) is 2-(2-bromophenyl)prop-2-ene-1-sulfonyl chloride.
What is the SMILES notation for 2-(2-bromophenyl)prop-2-ene-1-sulfonyl chloride?
The canonical SMILES for 2-(2-bromophenyl)prop-2-ene-1-sulfonyl chloride is C=C(CS(=O)(=O)Cl)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)prop-2-ene-1-sulfonyl chloride?
The InChIKey is OPBFKHJUMNECGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClO2S/c1-7(6-14(11,12)13)8-4-2-3-5-9(8)10/h2-5H,1,6H2.
What are the key properties of 2-(2-bromophenyl)prop-2-ene-1-sulfonyl chloride?
2-(2-bromophenyl)prop-2-ene-1-sulfonyl chloride has a molecular weight of 295.59 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)prop-2-ene-1-sulfonyl chloride is sourced from PubChem (CID 117269099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).